UCSF

ZINC25540199

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 5.9 -26.64 2 8 0 88 473.455 7
Lo Low (pH 4.5-6) 3.04 8.16 -55.7 3 8 1 90 474.463 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )